SCHEMBL8773896

SCHEMBL8773896

CC(C)CC(CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.60
MMP3 P08254 13/20 0.57
MMP2 P08253 12/20 0.57
MMP1 P03956 8/20 0.57
MMP9 P14780 5/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
MMP14 P50281 1/20 0.57
ADAM17 P78536 1/20 0.57
MMP7 P09237 1/20 0.49
PDF Q9HBH1 1/20 0.49
RRM1 P23921 1/20 0.44
RRM2 P31350 1/20 0.44
RRM2B Q7LG56 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5088865 0.88 MMP3 (0.74) MMEMMP3MMP2MMP1MMP9
SCHEMBL4633112 0.88 MMP3 (0.74) MMEMMP3MMP2MMP1MMP9
SCHEMBL8777512 0.86 MMP3 (0.59) MMEMMP3MMP2MMP1MMP9
SCHEMBL21994104 0.79 MME (0.67) MMEMMP3MMP2MMP1MMP9
SCHEMBL7368385 0.78 MME (0.81) MMEMMP3MMP2MMP1MMP9
SCHEMBL8777504 0.78 MMP2 (0.57) MMP3MMP2MMP1MMP9MMP8
SCHEMBL27501940 0.77 SLC7A5 (0.52) MMP3MMP2MMP1MMP9MMP8
SCHEMBL7049300 0.77 SLC7A5 (0.52) MMP3MMP2MMP1MMP9MMP8
SCHEMBL7758593 0.77 MMP2 (0.69) MMP3MMP2MMP1MMP9MMP8
SCHEMBL17969297 0.75 MMP1 (0.45) MMEMMP3MMP2MMP1MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed